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Contents list for Physical Chemistry Chemical Physics, issue 7, 2005
Front cover
Phys. Chem. Chem. Phys., 2005, 7, 1329
DOI: 10.1039/b503298a
Inside front cover
Phys. Chem. Chem. Phys., 2005, 7, 1330
DOI: 10.1039/b503299g
Contents
Phys. Chem. Chem. Phys., 2005, 7, 1331
DOI: 10.1039/b503300b
Editorial
Chemical processes of ions—transport and reactivity
85th International Discussion Meeting of the Deutsche Bunsen-Gesellschaft für Physikalische Chemie, Marburg, 15–17 September, 2004
Phys. Chem. Chem. Phys., 2005, 7, 1343
DOI: 10.1039/b503532p
Communications
Charge-state resolved mid-infrared spectroscopy of a gas-phase protein
Jos Oomens, Nick Polfer, David T. Moore, Lex van der Meer, Alan G. Marshall, John R. Eyler, Gerard Meijer and Gert von Helden,
Phys. Chem. Chem. Phys., 2005, 7, 1345
DOI: 10.1039/b502322j
Template-controlled conformational patterns of insulin fibrillar self-assembly reflect history of solvation of the amyloid nuclei
Wojciech Dzwolak, Ralf Jansen, Vytautas Smirnovas, Anna Loksztejn, Sylwester Porowski and Roland Winter,
Phys. Chem. Chem. Phys., 2005, 7, 1349
DOI: 10.1039/b502255j
Invited Article
Self-assembly in green solvents
Julian Eastoe and Sarah Gold,
Phys. Chem. Chem. Phys., 2005, 7, 1352
DOI: 10.1039/b418985j
Papers
THEORETICAL STUDIES AND METHODS
A molecular dynamics study of the hydroxyl radical in solution applying self-interaction-corrected density functional methods
Joost VandeVondele and Michiel Sprik,
Phys. Chem. Chem. Phys., 2005, 7, 1363
DOI: 10.1039/b501603g
The geometric (H/D) isotope effect in porphycene: grid-based Born–Oppenheimer vibrational wavefunctions vs. multi-component molecular orbital theory
M. F. Shibl, M. Tachikawa and O. Kühn,
Phys. Chem. Chem. Phys., 2005, 7, 1368
DOI: 10.1039/b500620a
Environmental effects on proton transfer in a strong hydrogen bond dimer: The 4-methyl-imidazole-aspartate case
Pedro C. Gómez and Luis F. Pacios,
Phys. Chem. Chem. Phys., 2005, 7, 1374
DOI: 10.1039/b416104a
Influence of polarization and many body quantum effects on the solvation shell of Al(III) in dilute aqueous solution—extended ab initio QM/MM MD simulations
Thomas S. Hofer, Bernhard R. Randolf and Bernd M. Rode,
Phys. Chem. Chem. Phys., 2005, 7, 1382
DOI: 10.1039/b417491g
BIOPHYSICAL CHEMISTRY
Temperature and timescale dependence of protein dynamics in methanol : water mixtures
Alexander L. Tournier, Valerie Réat, Rachel Dunn, Roy Daniel, Jeremy C. Smith and John Finney,
Phys. Chem. Chem. Phys., 2005, 7, 1388
DOI: 10.1039/b416103c
SPECTROSCOPY
A general approach to the calculation of 2H2O NMR lineshapes in microheterogeneous systems: a distorted bicontinuous cubic phase
Ken Åman, Pär Håkansson and Per-Olof Westlund,
Phys. Chem. Chem. Phys., 2005, 7, 1394
DOI: 10.1039/b417157h
A combined first principles computational and solid-state NMR study of a molecular crystal: flurbiprofen
Jonathan R. Yates, Sara E. Dobbins, Chris J. Pickard, Francesco Mauri, Phuong Y. Ghi and Robin K. Harris,
Phys. Chem. Chem. Phys., 2005, 7, 1402
DOI: 10.1039/b500674k
Hyperfine quantum beats from photolytic orientation and alignment
Matthew L. Costen and Gregory E. Hall,
Phys. Chem. Chem. Phys., 2005, 7, 1408
DOI: 10.1039/b419006h
An investigation of the factors influencing the detection sensitivity of cavity enhanced Raman scattering for probing aqueous binary aerosol droplets
Rachel Symes, Richard J. J. Gilham, Robert M. Sayer and Jonathan P. Reid,
Phys. Chem. Chem. Phys., 2005, 7, 1414
DOI: 10.1039/b500385g
Absence of molecular mobility on nano-second time scales in amorphous ice phases
M. M. Koza, B. Geil, H. Schober and F. Natali,
Phys. Chem. Chem. Phys., 2005, 7, 1423
DOI: 10.1039/b414382e
Structure, electronic circular dichroism and Raman optical activity in the gas phase and in solution: a computational and experimental investigation
Neil A. Macleod, Patrick Butz, John P. Simons, Guy H. Grant, Christopher M. Baker and George E. Tranter,
Phys. Chem. Chem. Phys., 2005, 7, 1432
DOI: 10.1039/b501098e
Reviews
STATISTICAL MECHANICS AND THERMODYNAMICS
Thermal conductivity of crystalline and amorphous ices and its implications on amorphization and glassy water
Ove Andersson and Akira Inaba,
Phys. Chem. Chem. Phys., 2005, 7, 1441
DOI: 10.1039/b500373c
Papers
Radial distribution functions and densities for the SPC/E, TIP4P and TIP5P models for liquid water and ices Ih, Ic, II, III, IV, V, VI, VII, VIII, IX, XI and XII
Carlos Vega, Carl McBride, Eduardo Sanz and Jose L. F. Abascal,
Phys. Chem. Chem. Phys., 2005, 7, 1450
DOI: 10.1039/b418934e
MATERIALS AND MACROMOLECULES
Chain-length-dependent conformational transformation and melting behaviour of alkyl/oligo(oxyethylene)/alkyl triblock compounds: 
-octyl-
-octyloxyoligo(oxyethylene)s
Koichi Fukuhara, Takahiro Mizawa, Tomohiro Inoue, Hirotaka Kumamoto, Yoshihide Terai, Hiroatsu Matsuura and Kyriakos Viras,
Phys. Chem. Chem. Phys., 2005, 7, 1457
DOI: 10.1039/b414340j
Measurement of heteroaggregation rate constants by simultaneous static and dynamic light scattering
Paolo Galletto, Wei Lin and Michal Borkovec,
Phys. Chem. Chem. Phys., 2005, 7, 1464
DOI: 10.1039/b417761d
Nanoscopic study of the ion dynamics in a LiAlSiO4 glass ceramic by means of electrostatic force spectroscopy
Bernhard Roling, André Schirmeisen, Hartmut Bracht, Ahmet Taskiran, Harald Fuchs, Sevi Murugavel and Frank Natrup,
Phys. Chem. Chem. Phys., 2005, 7, 1472
DOI: 10.1039/b418501c
KINETICS AND REACTION DYNAMICS
Global 1
1A
potential energy surface of CH2 and quantum dynamics of a sideways insertion mechanism for the C(1D)+ H2
CH(2
)+ H reaction
Béatrice Bussery-Honvault, Jérôme Julien, Pascal Honvault and Jean–Michel Launay,
Phys. Chem. Chem. Phys., 2005, 7, 1476
DOI: 10.1039/b419000a
SURFACES AND INTERFACES
Growth and characterisation of zirconia surfaces on Cu(111)
Anastasia Paulidou and Roger M. Nix,
Phys. Chem. Chem. Phys., 2005, 7, 1482
DOI: 10.1039/b418693a
Reviews
SPECIAL ISSUE PAPERS
Ion/surface reactions and ion soft-landing
Bogdan Gologan, Jason R. Green, Jormarie Alvarez, Julia Laskin and R. Graham Cooks,
Phys. Chem. Chem. Phys., 2005, 7, 1490
DOI: 10.1039/b418056a
Synthetic ion channels: Functional analysis and structural studies
Prof. Dr. Ulrich Koert,
Phys. Chem. Chem. Phys., 2005, 7, 1501
DOI: 10.1039/b418561g
Threshold photoelectron photoion coincidence studies of parallel and sequential dissociation reactions
Tomas Baer, Bálint Sztáray, James P. Kercher, A. F. Lago, Andras Bödi, Christopher Skull and Don Palathinkal,
Phys. Chem. Chem. Phys., 2005, 7, 1507
DOI: 10.1039/b502051d
Papers
Effects of dynamic disorder on the charge transport via DNA molecules
J. Matulewski, S. D. Baranovskii and P. Thomas,
Phys. Chem. Chem. Phys., 2005, 7, 1514
DOI: 10.1039/b417022a
A combined vacuum ultraviolet laser and synchrotron pulsed field ionization study of BCl3
Jie Yang, Yuxiang Mo, K. C. Lau, Y. Song, X. M. Qian and C. Y. Ng,
Phys. Chem. Chem. Phys., 2005, 7, 1518
DOI: 10.1039/b417083k
The resonance enhanced multiphoton ionisation spectroscopy of ammonia isotopomers NH3, NH2D, NHD2 and ND3
Moana Nolde, Karl-Michael Weitzel and Colin M. Western,
Phys. Chem. Chem. Phys., 2005, 7, 1527
DOI: 10.1039/b417835c
Ion–molecule kinetics at 15–700 Torr
A. A. Viggiano, Abel I. Fernandez and J. Troe,
Phys. Chem. Chem. Phys., 2005, 7, 1533
DOI: 10.1039/b417454b
Dynamics of ion–molecule complex formation at very low energies and temperatures
E. E. Nikitin and J. Troe,
Phys. Chem. Chem. Phys., 2005, 7, 1540
DOI: 10.1039/b416401f
Reduced-dimensionality calculation of reaction cross sections and rate constant for the complex-forming gas-phase SN2 reaction Cl–+ CH3Cl
ClCH3+ Cl–
Carsten Hennig and Stefan Schmatz,
Phys. Chem. Chem. Phys., 2005, 7, 1552
DOI: 10.1039/b417288d
Temperature and pressure dependence of ion–molecule association and dissociation reactions: the N2++ N2(+ M) 
N4+(+ M) reaction
Jürgen Troe,
Phys. Chem. Chem. Phys., 2005, 7, 1560
DOI: 10.1039/b417945p
Ab initio investigations of the C3S+ cation and of its role during the reactions of C3+ ions against atomic sulfur
H. Ndome and M. Hochlaf,
Phys. Chem. Chem. Phys., 2005, 7, 1568
DOI: 10.1039/b500683j
Reactive scattering of Rydberg atoms: H*+ D2 HD + D*
Eckart Wrede, Ludger Schnieder, Karen Seekamp-Schnieder, Britta Niederjohann and Karl H. Welge,
Phys. Chem. Chem. Phys., 2005, 7, 1577
DOI: 10.1039/b417440b
Probing the structure of CH5+ ions and deuterated variants via collisions
D. Gerlich,
Phys. Chem. Chem. Phys., 2005, 7, 1583
DOI: 10.1039/b419328h
Comparison of the cis-bending and C–H stretching vibration on the reaction of C2H2+ with H2 using laser induced reactions
Stephan Schlemmer, Oskar Asvany and Thomas Giesen,
Phys. Chem. Chem. Phys., 2005, 7, 1592
DOI: 10.1039/b418495p
Back matter
Phys. Chem. Chem. Phys., 2005, 7, 1601
DOI: 10.1039/b502643c
Back cover
Phys. Chem. Chem. Phys., 2005, 7, 1603
DOI: 10.1039/b502645h
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